pub struct BrukerFormulaConverter {
pub mz: MzCalibrator,
pub im: MobilityCalibrator,
pub mz_model_type: i64,
}Expand description
SDK-free converter using the exact Bruker calibration formulas.
Reads the MzCalibration and TimsCalibration tables from analysis.tdf and
evaluates the published calibration curves directly (see
crate::data::calibration). Verified against the Bruker SDK:
- scan <-> 1/K0 : machine-precision exact (ModelType 2).
- TOF <-> m/z : bit-exact for MzCalibration ModelType 1; ModelType 2 uses the same C0/C1/C2 quadratic-in-sqrt(m) curve and reproduces the SDK to a few ppm (the proprietary ModelType-2 C8..C14 fine correction is not modelled).
This is a fixed-calibration converter: it captures one frame’s
calibration rows + temperatures at build time and applies them to every
frame, ignoring the per-call frame_id (like the other SDK-free converters
Simple/Calibrated/Lookup). Valid because the coefficients are
effectively constant across a run; use the SDK-backed BrukerLib converter
if a run genuinely carries multiple calibration rows.
Fields§
§mz: MzCalibrator§im: MobilityCalibrator§mz_model_type: i64Implementations§
Trait Implementations§
Source§impl IndexConverter for BrukerFormulaConverter
impl IndexConverter for BrukerFormulaConverter
fn tof_to_mz(&self, _frame_id: u32, tof_values: &Vec<u32>) -> Vec<f64>
fn mz_to_tof(&self, _frame_id: u32, mz_values: &Vec<f64>) -> Vec<u32>
fn scan_to_inverse_mobility( &self, _frame_id: u32, scan_values: &Vec<u32>, ) -> Vec<f64>
fn inverse_mobility_to_scan( &self, _frame_id: u32, inverse_mobility_values: &Vec<f64>, ) -> Vec<u32>
Auto Trait Implementations§
impl Freeze for BrukerFormulaConverter
impl RefUnwindSafe for BrukerFormulaConverter
impl Send for BrukerFormulaConverter
impl Sync for BrukerFormulaConverter
impl Unpin for BrukerFormulaConverter
impl UnsafeUnpin for BrukerFormulaConverter
impl UnwindSafe for BrukerFormulaConverter
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The inclusion map: converts
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